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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
37053 |
8016426 |
1 |
O2N3C24H25 |
A2B3C24D25 |
-32.35 |
1.6 |
-8.42 |
-0.1 |
0 |
|
|
37054 |
8016427 |
3 |
O2H4C5 |
A2B4C5 |
-170.38 |
1.37 |
-8.98 |
-0.93 |
1 |
|
|
37055 |
8016433 |
1 |
ON2C21H29 |
AB2C21D29 |
0.04 |
3.6 |
0.0 |
0.0 |
0 |
|
|
37056 |
8016434 |
1 |
ON2C21H28 |
AB2C21D28 |
-11.44 |
3.11 |
-8.7 |
-0.11 |
0 |
|
|
37057 |
8016441 |
1 |
OSN2H12C22 |
ABC2D12E22 |
83.53 |
1.87 |
-8.87 |
-1.48 |
0 |
|
|
37058 |
8016452 |
1 |
O2N3H21C23 |
A2B3C21D23 |
0.57 |
2.69 |
-8.52 |
-1.26 |
0 |
|
|
37059 |
8016454 |
1 |
N2O4H18C21 |
A2B4C18D21 |
-98.83 |
8.99 |
-9.05 |
-1.33 |
0 |
|
|
37060 |
8016455 |
1 |
N2O5C24H24 |
A2B5C24D24 |
-143.96 |
4.5 |
-8.25 |
-1.03 |
0 |
|
|
37061 |
8016457 |
1 |
O2N3H19C23 |
A2B3C19D23 |
-7.07 |
2.98 |
-9.01 |
-1.51 |
0 |
|
|
37062 |
8016460 |
1 |
O3C27H40 |
A3B27C40 |
-105.4 |
5.69 |
-9.68 |
0.09 |
0 |
|
|
37063 |
8016465 |
2 |
NO3C11H13 |
AB3C11D13 |
-207.56 |
7.29 |
-8.51 |
-0.18 |
0 |
|
|
37064 |
8016471 |
1 |
N2O3C23H32 |
A2B3C23D32 |
-76.24 |
5.27 |
-8.4 |
0.11 |
0 |
|
|
37065 |
8016474 |
2 |
NO2H8C10 |
AB2C8D10 |
-88.36 |
6.31 |
-9.06 |
-1.43 |
0 |
|
|
37066 |
8016477 |
1 |
N2O2H14C23 |
A2B2C14D23 |
37.87 |
2.53 |
-8.78 |
-1.51 |
0 |
|
|
37067 |
8016478 |
1 |
N2O5H18C23 |
A2B5C18D23 |
-94.71 |
5.28 |
-8.32 |
-1.34 |
1 |
|
|
37068 |
8016493 |
1 |
ON2C23H33 |
AB2C23D33 |
-4.58 |
6.85 |
0.0 |
0.0 |
0 |
|
|
37069 |
8016500 |
1 |
ClO2N4H21C22 |
AB2C4D21E22 |
-24.85 |
6.14 |
-8.63 |
-0.48 |
0 |
|
|
37070 |
8016502 |
1 |
N2O5C23H24 |
A2B5C23D24 |
-167.05 |
3.15 |
-9.24 |
-0.9 |
0 |
|
|
37071 |
8016504 |
1 |
O4C15H16 |
A4B15C16 |
-111.42 |
7.25 |
-8.48 |
-0.95 |
-1 |
|
|
37072 |
8016515 |
1 |
N2O6C22H25 |
A2B6C22D25 |
-150.51 |
5.89 |
0.0 |
0.0 |
0 |
|
|
37073 |
8016523 |
1 |
N2O4H18C21 |
A2B4C18D21 |
-94.33 |
5.85 |
-9.07 |
-1.24 |
0 |
|
|
37074 |
8016529 |
1 |
N2O5C24H30 |
A2B5C24D30 |
-181.84 |
2.24 |
-8.37 |
0.03 |
1 |
|
|
37075 |
8016536 |
1 |
NO3C19H24 |
AB3C19D24 |
-45.09 |
3.61 |
0.0 |
0.0 |
-1 |
|
|
37076 |
8016555 |
1 |
NO6C22H26 |
AB6C22D26 |
-257.25 |
7.79 |
0.0 |
0.0 |
0 |
|
|
37077 |
8016562 |
1 |
FON3C23H24 |
ABC3D23E24 |
-38.44 |
5.36 |
-8.47 |
-0.34 |
0 |
|
|
37078 |
8016581 |
1 |
N2O2C23H30 |
A2B2C23D30 |
-47.7 |
9.35 |
-9.02 |
-0.19 |
1 |
|
|
37079 |
8016582 |
1 |
N2O2C23H31 |
A2B2C23D31 |
-18.72 |
14.47 |
0.0 |
0.0 |
0 |
|
|
37080 |
8016583 |
1 |
N2O2C23H30 |
A2B2C23D30 |
-46.74 |
7.57 |
-8.95 |
-0.15 |
1 |
|
|
37081 |
8016586 |
1 |
N2O2C21H29 |
A2B2C21D29 |
-34.8 |
4.64 |
0.0 |
0.0 |
0 |
|
|
37082 |
8016587 |
1 |
N2O2C21H28 |
A2B2C21D28 |
-45.33 |
2.99 |
-8.19 |
-0.03 |
0 |
|
|
37083 |
8016620 |
1 |
O5C24H30 |
A5B24C30 |
-196.87 |
6.45 |
-9.62 |
-0.81 |
1 |
|
|
37084 |
8016667 |
1 |
N2O2C20H27 |
A2B2C20D27 |
-16.16 |
6.94 |
0.0 |
0.0 |
0 |
|
|
37085 |
8016685 |
2 |
NOC10H10 |
ABC10D10 |
-29.93 |
7.26 |
-8.91 |
-0.35 |
1 |
|
|
37086 |
8016696 |
1 |
ClON3H17C19 |
ABC3D17E19 |
33.37 |
5.28 |
0.0 |
0.0 |
0 |
|
|
37087 |
8016756 |
1 |
ON3C23H25 |
AB3C23D25 |
9.65 |
3.2 |
-8.26 |
-0.23 |
1 |
|
|
37088 |
8016759 |
1 |
ON2C23H31 |
AB2C23D31 |
-1.6 |
5.36 |
0.0 |
0.0 |
-1 |
|
|
37089 |
8016790 |
1 |
N2O4H17C24 |
A2B4C17D24 |
-42.29 |
1.92 |
0.0 |
0.0 |
0 |
|
|
37090 |
8016813 |
1 |
FN2O2H15C25 |
AB2C2D15E25 |
-3.98 |
1.88 |
-8.6 |
-1.45 |
1 |
|
|
37091 |
8016817 |
1 |
N2O4C20H23 |
A2B4C20D23 |
-76.46 |
4.18 |
0.0 |
0.0 |
0 |
|
|
37092 |
8016820 |
1 |
NO6C22H27 |
AB6C22D27 |
-240.14 |
11.62 |
-9.39 |
-1.15 |
0 |
|
|
37093 |
8016823 |
2 |
NOC11H14 |
ABC11D14 |
-46.51 |
5.94 |
-8.77 |
-0.18 |
1 |
|
|
37094 |
8016848 |
1 |
N2O2C22H27 |
A2B2C22D27 |
-14.38 |
12.29 |
0.0 |
0.0 |
0 |
|
|
37095 |
8016859 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-159.18 |
1.61 |
-8.83 |
-0.06 |
0 |
|
|
37096 |
8016868 |
1 |
FOSN5H18C21 |
ABCD5E18F21 |
57.27 |
10.38 |
-8.98 |
-0.93 |
1 |
|
|
37097 |
8016872 |
1 |
SO3N4C17H25 |
AB3C4D17E25 |
-76.19 |
7.39 |
0.0 |
0.0 |
0 |
|
|
37098 |
8016883 |
1 |
FN3O3H16C18 |
AB3C3D16E18 |
-120.1 |
4.62 |
-9.02 |
-0.44 |
0 |
|
|
37099 |
8016893 |
1 |
SN2O2C23H24 |
AB2C2D23E24 |
-60.45 |
3.01 |
-8.49 |
-0.27 |
0 |
|
|
37100 |
8016898 |
1 |
N4O5C21H28 |
A4B5C21D28 |
-184.73 |
8.36 |
-8.64 |
-0.24 |
0 |
|
|
37101 |
8016907 |
1 |
SF2N3O3H17C18 |
AB2C3D3E17F18 |
-182.24 |
7.85 |
-9.37 |
-1.09 |
1 |
|
|
37102 |
8016910 |
1 |
FSN2O3C22H30 |
ABC2D3E22F30 |
-116.72 |
4.42 |
0.0 |
0.0 |
0 |
|
|
37103 |
8016931 |
1 |
NSO5H15C16 |
ABC5D15E16 |
-155.26 |
3.22 |
-8.89 |
-1.17 |
0 |
|
|
37104 |
8016934 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-35.83 |
2.69 |
-9.06 |
-1.19 |
0 |
|
|
37105 |
8016946 |
1 |
ClSN2O2H17C19 |
ABC2D2E17F19 |
-15.72 |
3.11 |
-9.07 |
-0.78 |
1 |
|
|
37106 |
8016955 |
1 |
Cl2N2O2C19H27 |
A2B2C2D19E27 |
-78.97 |
4.51 |
0.0 |
0.0 |
0 |
|
|
37107 |
8016957 |
1 |
SN3O5C20H27 |
AB3C5D20E27 |
-219.61 |
8.71 |
-9.45 |
-0.62 |
0 |
|
|
37108 |
8016964 |
1 |
F3N3O3C17H20 |
A3B3C3D17E20 |
-279.83 |
4.55 |
-10.02 |
-0.43 |
0 |
|
|
37109 |
8016987 |
1 |
NCl2O2C15H21 |
AB2C2D15E21 |
-100.45 |
2.82 |
-8.99 |
-0.48 |
1 |
|
|
37110 |
8017004 |
1 |
NO3C21H34 |
AB3C21D34 |
-96.23 |
3.55 |
0.0 |
0.0 |
1 |
|
|
37111 |
8017006 |
1 |
NO3C21H34 |
AB3C21D34 |
-96.13 |
2.49 |
0.0 |
0.0 |
0 |
|
|
37112 |
8017023 |
1 |
NO4C17H29 |
AB4C17D29 |
-162.2 |
2.45 |
-8.26 |
0.28 |
1 |
|
|
37113 |
8017044 |
1 |
Cl2O2N4H13C15 |
A2B2C4D13E15 |
33.56 |
7.24 |
0.0 |
0.0 |
1 |
|
|
37114 |
8017046 |
1 |
BrFO2N4H13C15 |
ABC2D4E13F15 |
8.14 |
4.35 |
0.0 |
0.0 |
0 |
|
|
37115 |
8017053 |
1 |
BrO2N4H13C15 |
AB2C4D13E15 |
59.21 |
7.18 |
-9.85 |
-0.67 |
1 |
|
|
37116 |
8017054 |
1 |
O4N5H14C15 |
A4B5C14D15 |
45.99 |
5.87 |
0.0 |
0.0 |
0 |
|
|
37117 |
8017084 |
1 |
OSN2C15H20 |
ABC2D15E20 |
-38.58 |
4.18 |
-8.83 |
-0.65 |
1 |
|
|
37118 |
8017087 |
1 |
OSN3C20H24 |
ABC3D20E24 |
12.93 |
17.2 |
0.0 |
0.0 |
0 |
|
|
37119 |
8017106 |
1 |
N2O5H16C21 |
A2B5C16D21 |
-142.6 |
5.43 |
-9.09 |
-1.82 |
1 |
|
|
37120 |
8017108 |
1 |
SO2N3C23H26 |
AB2C3D23E26 |
10.68 |
7.84 |
0.0 |
0.0 |
0 |
|
|
37121 |
8017117 |
1 |
ClSN3O5H12C17 |
ABC3D5E12F17 |
-66.26 |
5.98 |
-9.8 |
-1.85 |
1 |
|
|
37122 |
8017121 |
1 |
NO3C19H34 |
AB3C19D34 |
-124.33 |
2.21 |
0.0 |
0.0 |
0 |
|
|
37123 |
8017187 |
1 |
OS2N3C16H19 |
AB2C3D16E19 |
18.37 |
5.78 |
-8.51 |
-1.02 |
0 |
|
|
37124 |
8017189 |
1 |
NSO2C13H21 |
ABC2D13E21 |
-97.91 |
5.49 |
-9.43 |
-0.4 |
0 |
|
|
37125 |
8017192 |
1 |
SN3O3C23H25 |
AB3C3D23E25 |
-68.58 |
4.29 |
-8.88 |
-0.75 |
2 |
|
|
37126 |
8017197 |
1 |
BrFON3C19H23 |
ABCD3E19F23 |
45.73 |
16.09 |
-5.16 |
-0.97 |
0 |
|
|
37127 |
8017198 |
1 |
N3O4C23H25 |
A3B4C23D25 |
-131.38 |
6.33 |
-8.45 |
-0.32 |
0 |
|
|
37128 |
8017213 |
1 |
ClSN2O4H19C20 |
ABC2D4E19F20 |
-81.2 |
1.95 |
-8.25 |
-0.75 |
0 |
|
|
37129 |
8017225 |
1 |
SO2N4H14C20 |
AB2C4D14E20 |
107.3 |
5.14 |
-9.58 |
-1.86 |
0 |
|
|
37130 |
8017260 |
1 |
SN2O2C16H16 |
AB2C2D16E16 |
-9.59 |
4.12 |
-8.16 |
-0.75 |
0 |
|
|
37131 |
8017263 |
1 |
N2S2O3C19H22 |
A2B2C3D19E22 |
-87.93 |
4.48 |
-8.68 |
-1.18 |
0 |
|
|
37132 |
8017264 |
2 |
NOSC10H12 |
ABCD10E12 |
-63.48 |
6.38 |
-8.56 |
-1.09 |
0 |
|
|
37133 |
8017273 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-67.05 |
6.39 |
-8.76 |
-0.39 |
0 |
|
|
37134 |
8017300 |
1 |
SO2N3C18H21 |
AB2C3D18E21 |
-21.31 |
7.5 |
-8.6 |
-0.4 |
0 |
|
|
37135 |
8017301 |
1 |
OSF3N3C22H24 |
ABC3D3E22F24 |
-158.55 |
8.63 |
-8.84 |
-1.17 |
0 |
|
|
37136 |
8017302 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-20.88 |
8.8 |
-8.7 |
-0.8 |
0 |
|
|
37137 |
8017313 |
1 |
ClS2N4C16H17 |
AB2C4D16E17 |
68.78 |
8.43 |
-8.72 |
-1.14 |
0 |
|
|
37138 |
8017345 |
1 |
ClSO3N4H11C14 |
ABC3D4E11F14 |
28.46 |
2.98 |
-9.52 |
-1.94 |
0 |
|
|
37139 |
8017349 |
1 |
SN4O4H10C12 |
AB4C4D10E12 |
12.69 |
5.27 |
-9.3 |
-1.85 |
1 |
|
|
37140 |
8017352 |
1 |
OCl2N3C18H20 |
AB2C3D18E20 |
8.25 |
3.76 |
0.0 |
0.0 |
0 |
|
|
37141 |
8017379 |
1 |
ClSN3O3H18C20 |
ABC3D3E18F20 |
-51.52 |
1.92 |
-8.95 |
-1.22 |
0 |
|
|
37142 |
8017383 |
1 |
BrClN3O3H9C15 |
ABC3D3E9F15 |
-37.73 |
1.29 |
-9.48 |
-1.5 |
0 |
|
|
37143 |
8017450 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-79.94 |
1.78 |
-9.29 |
-0.79 |
0 |
|
|
37144 |
8017456 |
1 |
Cl2O3N5H11C16 |
A2B3C5D11E16 |
-14.73 |
5.45 |
-9.57 |
-1.86 |
0 |
|
|
37145 |
8017460 |
1 |
BrClNO4H13C15 |
ABCD4E13F15 |
-105.71 |
1.69 |
-8.61 |
-1.42 |
0 |
|
|
37146 |
8017483 |
1 |
N2O5C18H22 |
A2B5C18D22 |
-214.23 |
4.81 |
-9.6 |
-0.74 |
0 |
|
|
37147 |
8017495 |
1 |
ClSN3O5H12C13 |
ABC3D5E12F13 |
-180.3 |
1.96 |
-10.13 |
-1.54 |
0 |
|
|
37148 |
8017510 |
1 |
ClN2O3C20H25 |
AB2C3D20E25 |
-135.95 |
4.33 |
-9.75 |
-1.61 |
0 |
|
|
37149 |
8017527 |
1 |
ClNO5H12C14 |
ABC5D12E14 |
-158.42 |
3.01 |
-9.78 |
-1.44 |
0 |
|
|
37150 |
8017564 |
1 |
ClNO5H10C16 |
ABC5D10E16 |
-140.3 |
5.08 |
-9.59 |
-1.6 |
0 |
|
|
37151 |
8017573 |
1 |
ClF2N2O5H11C16 |
AB2C2D5E11F16 |
-255.86 |
4.7 |
-10.26 |
-1.36 |
0 |
|
|
37152 |
8017574 |
1 |
ClNO2H12C19 |
ABC2D12E19 |
3.39 |
4.12 |
-9.11 |
-1.34 |
0 |